| SpectraBase Compound ID | 9k8Qrq7q0mm |
|---|---|
| InChI | InChI=1S/C11H6O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H |
| InChIKey | ZKQQJUBGJLUJNT-UHFFFAOYSA-N |
| Mol Weight | 154.17 g/mol |
| Molecular Formula | C11H6O |
| Exact Mass | 154.041865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNUntyvobeN |
|---|---|
| Name | 2,4-Pentadiyn-1-one, 1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.041864812 u |
| Formula | C11H6O |
| InChI | InChI=1S/C11H6O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H |
| InChIKey | ZKQQJUBGJLUJNT-UHFFFAOYSA-N |
| Molecular Weight | 154.168 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)#CC#C |